1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one

C14H18ClNO2 — CID 82742632

IUPAC1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N(C)C1CCOC1
InChIInChI=1S/C14H18ClNO2/c1-10(16(2)13-7-8-18-9-13)14(17)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyMXHCWERESKKARO-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one

1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one (PubChem CID 82742632) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
PubChem CID82742632
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N(C)C1CCOC1
InChIInChI=1S/C14H18ClNO2/c1-10(16(2)13-7-8-18-9-13)14(17)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyMXHCWERESKKARO-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
CID 63568414
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 60678397
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
CID 82743357
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
CID 91916187
2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712028
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
3-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 82739555
2-[4-chloro-N-(oxolan-3-yl)anilino]acetic acid
CID 63562630
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one (CID 82742632) is 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one is CC(C(=O)c1ccc(Cl)cc1)N(C)C1CCOC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one?
The InChIKey is MXHCWERESKKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(16(2)13-7-8-18-9-13)14(17)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one has a molecular weight of 267.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one is sourced from PubChem (CID 82742632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).